C612-1288 Screening compound: 1,3-dimethyl-6-[3-(morpholin-4-yl)propyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

C612-1288 Screening compound: 1,3-dimethyl-6-[3-(morpholin-4-yl)propyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
C612-1288 Screening compound: 1,3-dimethyl-6-[3-(morpholin-4-yl)propyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1288
1,3-dimethyl-6-[3-(morpholin-4-yl)propyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C612-1288

Molecular Formula

C15H25N5O3 (C15 H25 N5 O3)

Compound Name

1,3-dimethyl-6-[3-(morpholin-4-yl)propyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

13-dimethyl-6-[3-(morpholin-4-yl)propyl]-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CN(C(C(CN(CCCN1CCOCC1)CN1)=C1N1C)=O)C1=O

InChI

InChI=1S/C15H25N5O3/c1-17-13-12(14(21)18(2)15(17)22)10-20(11-16-13)5-3-4-19-6-8-23-9-7-19/h16H,3-11H2,1-2H3

InChI Key

ACPWKJIUUOAQNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.424

Distribution Coefficient, logD

-0.493

Water Solubility, LogSw

0.02

Polar Surface Area

57.075

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.30

C612-1288 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Nucleoside Mimetics Library (2197 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C612-1288 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C612-1288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1288
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C612-1288 available by request